2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol

C14H24N2O2 — CID 79150529

IUPAC2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
SMILESCCCNCc1nc(C)ccc1OCC(C)(C)O
InChIInChI=1S/C14H24N2O2/c1-5-8-15-9-12-13(7-6-11(2)16-12)18-10-14(3,4)17/h6-7,15,17H,5,8-10H2,1-4H3
InChIKeyUNIVZIIQJZUHGB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.04
Rot. Bonds7

About 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol

2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol (PubChem CID 79150529) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
PubChem CID79150529
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
SMILESCCCNCc1nc(C)ccc1OCC(C)(C)O
InChIInChI=1S/C14H24N2O2/c1-5-8-15-9-12-13(7-6-11(2)16-12)18-10-14(3,4)17/h6-7,15,17H,5,8-10H2,1-4H3
InChIKeyUNIVZIIQJZUHGB-UHFFFAOYSA-N
XLogP2.04
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol with MolForge

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Related Compounds

ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 106704703
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylacetamide
CID 79151448
3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492150
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79157906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol?
The IUPAC name of 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol (CID 79150529) is 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol is CCCNCc1nc(C)ccc1OCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol?
The InChIKey is UNIVZIIQJZUHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-8-15-9-12-13(7-6-11(2)16-12)18-10-14(3,4)17/h6-7,15,17H,5,8-10H2,1-4H3.
What are the key properties of 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol?
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol is sourced from PubChem (CID 79150529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).